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Entanglement forging based variational algorithms leverage the bipartition of quantum systems for addressing ground-state problems. The primary limitation of these approaches lies in the exponential summation required over the numerous potential basis stat ...
We present two open-source Python packages: "electron spectro-microscopy"(espm) and "electron microscopy tables"(emtables). The espm software enables the simulation of scanning transmission electron microscopy energy-dispersive X-ray spectroscopy datacubes ...
The locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm is a popular approach for computing a few smallest eigenvalues and the corresponding eigenvectors of a large Hermitian positive definite matrix A. In this work, we propose a mix ...
The set of finite binary matrices of a given size is known to carry a finite type AA bicrystal structure. We first review this classical construction, explain how it yields a short proof of the equality between Kostka polynomials and one-dimensional sums t ...
We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...
In this thesis, we discuss the problems of scattering and optical manipulation related to nanosystems of different complexities. The multipolar decomposition method is used to represent scattering processes in nanosystems as a series of elementary excitati ...
Fast camera imaging is used to study ion acoustic waves propagating azimuthally in a magnetized plasma column. The high-speed image sequences are analyzed using proper orthogonal decomposition and 2D Fourier transform, allowing to evaluate the assets and d ...
Unsupervised Domain Adaptation Regression (DAR) aims to bridge the domain gap between a labeled source dataset and an unlabelled target dataset for regression problems. Recent works mostly focus on learning a deep feature encoder by minimizing the discrepa ...
Superoxide radicals (O-2(center dot-)) have been suggested as an important chain carrier in the radical chain reaction that promotes ozone (O-3) decomposition to hydroxyl radicals ((OH)-O-center dot) during ozonation. However, due to the difficulty in meas ...
Transition from fossils to renewables is leading to radical societal changes. Shifting the capital from fossils to renewables is commonly accompanied with political concerns, such as energy autonomy, domestic employment etc. Despite a decreasing trend in r ...